N-methyl-3-(5-piperidin-3-ylpent-1-en-3-ylideneamino)propan-1-amine

C14H27N3 — CID 123250912

IUPACN-methyl-3-(5-piperidin-3-ylpent-1-en-3-ylideneamino)propan-1-amine
SMILESC=C/C(CCC1CCCNC1)=N\CCCNC
InChIInChI=1S/C14H27N3/c1-3-14(17-11-5-9-15-2)8-7-13-6-4-10-16-12-13/h3,13,15-16H,1,4-12H2,2H3/b17-14+
InChIKeyISMNYUKDJOHSRI-SAPNQHFASA-N
MW237.39 g/mol
LogP2.00
Rot. Bonds8

About N-methyl-3-(5-piperidin-3-ylpent-1-en-3-ylideneamino)propan-1-amine

N-methyl-3-(5-piperidin-3-ylpent-1-en-3-ylideneamino)propan-1-amine (PubChem CID 123250912) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-methyl-3-(5-piperidin-3-ylpent-1-en-3-ylideneamino)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(5-piperidin-3-ylpent-1-en-3-ylideneamino)propan-1-amine
PubChem CID123250912
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-methyl-3-(5-piperidin-3-ylpent-1-en-3-ylideneamino)propan-1-amine
SMILESC=C/C(CCC1CCCNC1)=N\CCCNC
InChIInChI=1S/C14H27N3/c1-3-14(17-11-5-9-15-2)8-7-13-6-4-10-16-12-13/h3,13,15-16H,1,4-12H2,2H3/b17-14+
InChIKeyISMNYUKDJOHSRI-SAPNQHFASA-N
XLogP2.00
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-Methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine
CID 91582344
1-Piperidin-4-ylprop-2-en-1-imine
CID 123337965
N-methyl-1-piperidin-2-ylprop-2-en-1-imine
CID 123359089
3-imino-N-methyl-2-propylpent-4-en-1-amine
CID 123469226
N-(piperidin-4-ylmethyl)but-3-en-2-imine
CID 123852038
1-piperidin-4-yl-N-[(E)-prop-1-enyl]prop-2-en-1-imine
CID 141203200
ethane;N-ethenyl-1-piperidin-3-ylprop-2-en-1-imine
CID 141923227
5-Methylidene-4-piperidin-4-ylhepta-1,6-dien-3-imine
CID 141932312
ethane;1-N-methyl-1-piperidin-4-yl-2-N-[(Z)-prop-1-enyl]but-3-ene-1,2-diimine
CID 142137752
N-(2-methylprop-1-enyl)-1-piperidin-4-ylprop-2-en-1-imine
CID 143003964
(Z)-N-methyl-2-piperidin-2-ylhept-4-en-3-imine
CID 144499452
(Z)-N-ethyl-2-piperidin-2-ylhex-4-en-3-imine;molecular hydrogen
CID 144549901

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(5-piperidin-3-ylpent-1-en-3-ylideneamino)propan-1-amine?
The IUPAC name of N-methyl-3-(5-piperidin-3-ylpent-1-en-3-ylideneamino)propan-1-amine (CID 123250912) is N-methyl-3-(5-piperidin-3-ylpent-1-en-3-ylideneamino)propan-1-amine.
What is the SMILES notation for N-methyl-3-(5-piperidin-3-ylpent-1-en-3-ylideneamino)propan-1-amine?
The canonical SMILES for N-methyl-3-(5-piperidin-3-ylpent-1-en-3-ylideneamino)propan-1-amine is C=C/C(CCC1CCCNC1)=N\CCCNC.
What is the InChIKey of N-methyl-3-(5-piperidin-3-ylpent-1-en-3-ylideneamino)propan-1-amine?
The InChIKey is ISMNYUKDJOHSRI-SAPNQHFASA-N. The full InChI is InChI=1S/C14H27N3/c1-3-14(17-11-5-9-15-2)8-7-13-6-4-10-16-12-13/h3,13,15-16H,1,4-12H2,2H3/b17-14+.
What are the key properties of N-methyl-3-(5-piperidin-3-ylpent-1-en-3-ylideneamino)propan-1-amine?
N-methyl-3-(5-piperidin-3-ylpent-1-en-3-ylideneamino)propan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(5-piperidin-3-ylpent-1-en-3-ylideneamino)propan-1-amine is sourced from PubChem (CID 123250912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).